1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

C10H18FNO — CID 59476484

IUPAC1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCN1C[C@H](F)C[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H18FNO/c1-10(2,3)9(13)8-5-7(11)6-12(8)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyHCTBDMMQOOZIMM-SFYZADRCSA-N
MW187.26 g/mol
LogP1.64
Rot. Bonds1

About 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 59476484) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID59476484
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCN1C[C@H](F)C[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H18FNO/c1-10(2,3)9(13)8-5-7(11)6-12(8)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyHCTBDMMQOOZIMM-SFYZADRCSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one
CID 10080791
2,2-Dimethyl-1-(1-methylpyrrolidin-2-YL)propan-1-one
CID 15758088
2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
CID 59080127
1-(1-Tert-butyl-4,4-difluoropyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 58341258
1-[(2S)-4,4-difluoro-1,3,3-trimethylpyrrolidin-2-yl]ethanone
CID 58805275
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59470738
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59470886
1-[(2S,4S)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59476928
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668708
7,7,7-Trifluoro-2-methyl-4-pyrrolidin-1-ylheptan-3-one
CID 70799966
1-(4-Fluoropyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 72294827
1-(4-Fluoro-1-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 72302814

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (CID 59476484) is 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is CN1C[C@H](F)C[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is HCTBDMMQOOZIMM-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18FNO/c1-10(2,3)9(13)8-5-7(11)6-12(8)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 187.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59476484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).